|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C28H29N5O6/c34-27-23-21-17-32(25-19(21)3-1-5-29-25)7-9-36-11-13-38-15-16-39-14-12-37-10-8-33-18-22(24(23)28(35)31-27)20-4-2-6-30-26(20)33/h1-6,17-18H,7-16H2,(H,31,34,35)
|
|
chemicalCompound:standardIn... |
GJJAFPBCJBFVII-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C1NC(=O)C2=C1c3cn(CCOCCOCCOCCOCCn4cc2c5cccnc45)c6ncccc36
|
|
chemicalCompound:molecularF... |
C28 H29 N5 O6
|
|
chemicalCompound:moleculeId |
214795
|
|
chemicalCompound:mwFreebase |
531.56
|
|
chemicalCompound:alogp |
0.953
|
|
chemicalCompound:hba |
8
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
118.73
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.31
|
|
chemicalCompound:acdLogP |
0.842
|
|
chemicalCompound:acdLogD |
0.498
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
531.56
|
|
chemicalCompound:acdMostBpk... |
4.624
|
|
chemicalCompound:chemblId |
CHEMBL337642
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:activity |
activity:931177,
activity:931178,
activity:931179,
activity:931180,
activity:931181,
activity:931182,
activity:931183,
activity:931184,
activity:931185,
activity:931186,
activity:931187,
activity:931188,
activity:931189,
activity:931190,
activity:931191,
activity:931192,
activity:931193,
activity:931194,
activity:931195,
activity:931196,
activity:931197,
activity:931198,
activity:931199,
activity:931200,
activity:931201,
activity:931202,
activity:931203,
activity:931204,
activity:931205,
activity:931206,
activity:931207,
activity:931208,
activity:931209,
activity:931210,
activity:931211,
activity:931212,
activity:931213,
activity:931214,
activity:931215,
activity:931216,
activity:931217,
activity:931218,
activity:931219,
activity:931220,
activity:931221,
activity:931222,
activity:931223,
activity:931224,
activity:931225,
activity:931226,
activity:931227,
activity:931228,
activity:931229,
activity:931230,
activity:931231,
activity:931232,
activity:931233,
activity:931234,
activity:931235,
activity:931236,
activity:931237,
activity:931238,
activity:931239,
activity:3447562
|
